SCHEMBL6750309

SCHEMBL6750309

CCn1cc[n+](C)c1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
APAF1 O14727 1/20 0.48
NPC1 O15118 1/20 0.48
PLA2G1B P04054 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
FDPS P14324 4/20 0.38
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
PON1 P27169 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9931725 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL60789 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL14859660 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL8169330 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1APAF1NPC1
Methane SCHEMBL4952442 0.98 SMN1; SMN2 (0.47) SMN1; SMN2HTTMEN1APAF1NPC1
Bromide SCHEMBL1330069 0.98 SMN1; SMN2 (0.47) SMN1; SMN2HTTMEN1APAF1NPC1
Bromide SCHEMBL1330067 0.98 SMN1; SMN2 (0.52) SMN1; SMN2HTTMEN1APAF1NPC1
Propane SCHEMBL4952704 0.98 SMN1; SMN2 (0.47) SMN1; SMN2HTTMEN1APAF1NPC1
Bromide SCHEMBL384194 0.98 SMN1; SMN2 (0.47) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL2393374 0.98 SMN1; SMN2 (0.47) SMN1; SMN2HTTMEN1APAF1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040191629-A1 Anode of sulfur; cathode of lithium silicide; molten metal compound as electrolytes SANYO ELECTRIC CO., LTD. 2004-09-30 US disclosed